Geometry & MOs

Info

ID:	278009
PubChem CID:	103832662
Reduced:	O2N3C9H17 (1)
Stoich.:	A2B3C9D17 (1)
Weight, g/mol:	231.104148
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	0.61
IP(EA), eV:	-10.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

Drug info:

PubChemData

Smile

CCC[C@H](C1=NC(=NO1)C(C)OC)N

DOS

IR

Vibrations